ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxy-propanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxy-1-oxopropyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-(brosylamino)-3-methylsulfonyloxy-propanoyl]amino]phenyl]acetic acid ethyl ester Formula: C20H23BrN2O8S2 MolecularWeight: 563.43922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C(COS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C(COS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O8S2/c1-3-30-19(24)12-14-4-8-16(9-5-14)22-20(25)18(13-31-32(2,26)27)23-33(28,29)17-10-6-15(21)7-11-17/h4-11,18,23H,3,12-13H2,1-2H3,(H,22,25)